9RVA: Extracellular part of human ACE2

Crystal structure of the extracellular part of human ACE2 in complex with the macrocyclic peptide WJL-63. Determined by X-ray diffraction at 2.2 Å resolution. Released 6 May 2026.

Method: X-ray diffraction
Resolution: 2.2 Å
Organisms: Homo sapiens, synthetic construct
Chains: 2
Atoms: 5,968
Mol. weight: 90.12 kDa
Ligands: NAG, IPA, ZN, 2PE
Released: 6 May 2026

Explore 9RVA in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

9RVA contains 45 α-helices and 16 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 44 helices, 16 β-strands

Element	Residues	Length	Sheet
α-helix	21-52	32
α-helix	56-80	25
α-helix	85-87	3
α-helix	91-101	11
α-helix	104-107	4
α-helix	110-129	20
β-strand	131-134	4	1
β-strand	137-143	7	1
α-helix	144-148	5
α-helix	149-154	6
α-helix	158-167	10
α-helix	168-173	6
α-helix	174-193	20
α-helix	199-204	6
α-helix	205-207	3
β-strand	209	1	2
β-strand	217	1	2
α-helix	219-251	33
β-strand	260	1	3
α-helix	261	1
β-strand	262-263	2	4
α-helix	264-266	3
α-helix	276-278	3
α-helix	279-282	4
α-helix	289-291	3
α-helix	294-299	6
α-helix	304-317	14
α-helix	320-324	5
α-helix	325-330	6
β-strand	332	1	5
β-strand	347-352	6	5
β-strand	355-359	5	5
α-helix	366-384	19
α-helix	390-392	3
α-helix	400-413	14
α-helix	415-420	6
α-helix	432-446	15
α-helix	449-465	17
α-helix	470-472	3
α-helix	473-480	8
α-helix	481-485	5
β-strand	487-488	2	4
α-helix	500-502	3
α-helix	504-507	4
α-helix	514-532	19
α-helix	539-541	3
α-helix	548-558	11
α-helix	566-574	9
α-helix	582-598	17
β-strand	607	1	3
α-helix	614-616	3
β-strand	618-620	3	6
α-helix	637-657	21
α-helix	667-669	3
β-strand	670-676	7	6
β-strand	680-685	6	6
β-strand	686-687	2	7
β-strand	690-694	5	7
α-helix	695-696	2
α-helix	697-705	9

Chain C: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	4-5	2

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Angiotensin-converting enzyme 2	A	protein	730	Homo sapiens	Q9BYF1 (AlphaFold model)
macrocyclic peptide WJL-63	C	protein	24	synthetic construct

Sequence of entity 1 (A), FASTA

>9RVA_1 Angiotensin-converting enzyme 2 (chains A)
STIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQST
LAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNP
QECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYED
YGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISP
IGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSV
GLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGH
IQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINF
LLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYC
DPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNML
RLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSI
KVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPR
ISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPP
VSHHHHHHHH

Sequence of entity 2 (C), FASTA

>9RVA_2 macrocyclic peptide WJL-63 (chains C)
AYSTQISRGFTRDSRGCGSGSGSK

Ligands and cofactors

ID	Name	Formula	Copies
NAG	2-acetamido-2-deoxy-beta-D-glucopyranose	C8 H15 N O6	6
IPA	Isopropyl alcohol	C3 H8 O	2
ZN	Zinc ion	Zn	1
2PE	Nonaethylene glycol	C18 H38 O10	1

Water and common crystallization additives (NA, SO4, CL, EDO) are not listed.

Primary citation

Development and structure-guided characterization of a novel ACE2-binding macrocyclic peptide. Benoit, R.M., Wang, J., Beyer, D. et al. J Struct Biol X (2026) 13:100145-100145. DOI 10.1016/j.yjsbx.2026.100145 · PubMed

Other PDB entries of the same protein (UniProt Q9BYF1 (AlphaFold model), which also has an AlphaFold model), best resolution first:

9SPA 1.79 Å, Apo ACE2 extracellular domain
28KD 2.02 Å, ACE2 extracellular domain in complex with the macrocyclic peptide GR3.1.2
8BYJ 2.07 Å, The structures of Ace2 in complex with bicyclic peptide inhibitor
8B9P 2.11 Å, ACE2 in complex with bicyclic peptide inhibitor
8XSF 2.16 Å, SARS-CoV-2 rbd + imcas-364 + hACE2
1R42 2.2 Å, Native Human Angiotensin Converting Enzyme-Related Carboxypeptidase (ACE2)
7JVO 2.2 Å, Importin alpha bound to the C-terminus of ACE2
8TOR 2.2 Å, ACE2-peptide 2 complex
9UE7 2.27 Å, Cryo-EM structure of SARS-CoV-2 KP.2 spike in complex with ACE2
8TOQ 2.3 Å, ACE2-peptide 1 complex
8BFW 2.33 Å, The structures of Ace2 in complex with bicyclic peptide inhibitor
8TOS 2.35 Å, ACE2-peptide 6 complex

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